Dehydrosenecionine

Base Information

• Chemical Name: Dehydrosenecionine
• CAS No.: 28379-63-7
• Deprecated CAS: 30899-33-3
• Molecular Formula: C₁₈H₂₃NO₅
• Molecular Weight: 333.384
• DSSTox Substance ID: DTXSID301019980
• Nikkaji Number: J93.104G
• Mol file: 28379-63-7.mol

Synonyms:Dehydrosenecionine;28379-63-7;Senecionine, didehydro-;DTXSID301019980

Chemical Property of Dehydrosenecionine

Chemical Property:

• Vapor Pressure: 2.06E-14mmHg at 25°C
• Boiling Point: 582.5°Cat760mmHg
• Flash Point: 306.1°C
• PSA: 77.76000
• Density: 1.3g/cm³
• LogP: 2.25640
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 333.15762283
• Heavy Atom Count: 24
• Complexity: 560

Purity/Quality:

DEHYDROSENECIONINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CC(C(C(=O)OCC2=C3C(CCN3C=C2)OC1=O)(C)O)C
• Isomeric SMILES: C/C=C\1/C[C@H]([C@@](C(=O)OCC2=C3[C@@H](CCN3C=C2)OC1=O)(C)O)C

Technology Process of Dehydrosenecionine

There total 3 articles about Dehydrosenecionine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

senecionine (130-01-8,480-79-5,480-80-8,82535-12-4,86782-21-0) → senecionine pyrrole (28379-63-7,125276-17-7)

Guidance literature:

With dihydrogen peroxide; acetic anhydride; Multistep reaction; 1.) methanol, 2.) CHCl₃, 30 min;

DOI:10.1021/jo00226a027

Reference yield:

→ Dehydro-senecionin (28379-63-7,125276-17-7)

Guidance literature:

Senecionin,MnO2;

Reference yield:

→ Dehydrosenecionin (28379-63-7,125276-17-7)

Guidance literature:

Senecionin-N-oxid, Acetanhydrid;

upstream raw materials:

senecionine

Refernces